SCHEMBL11051059

SCHEMBL11051059

O=C(O)c1ccc(Oc2ccc(C(=O)O)c(C(=O)O)c2)cc1C(=O)O.O=C1OC(=O)c2ccc3c4ccc5c6c(ccc(c7ccc1c2c73)c64)C(=O)OC5=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 1/20 0.52
▸ POLB P06746 3/20 0.50
▸ HPSE Q9Y251 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ PYGL P06737 4/20 0.41
▸ PYGM P11217 3/20 0.41
▸ CA2 P00918 1/20 0.41
▸ TDP1 Q9NUW8 4/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GALK1 P51570 1/20 0.40
▸ CASP6 P55212 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ PLEC Q15149 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ CTDSP1 Q9GZU7 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ DUSP3 P51452 1/20 0.37
▸ PTPN5 P54829 1/20 0.37
▸ PTPN11 Q06124 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29126596 0.85 POLB (0.55) TYMSPOLBHPSEALDH1A1PYGL
SCHEMBL17961006 0.84 POLB (0.57) TYMSPOLBHPSEALDH1A1PYGL
SCHEMBL234674 0.82 TYMS (0.65) TYMSPOLBALDH1A1CA2TDP1
SCHEMBL29448334 0.82 TYMS (0.65) TYMSPOLBALDH1A1CA2TDP1
SCHEMBL29448335 0.82 TYMS (0.65) TYMSPOLBALDH1A1CA2TDP1
SCHEMBL10514322 0.82 POLB (0.51) TYMSPOLBHPSEALDH1A1PYGL
Potassium SCHEMBL7487575 0.81 TYMS (0.63) TYMSPOLBALDH1A1CA2TDP1
SCHEMBL475960 0.78 TYMS (0.79) TYMSPOLBALDH1A1TDP1LMNA
SCHEMBL24790646 0.78 POLB (0.47) TYMSPOLBHPSEALDH1A1PYGL
SCHEMBL49365 0.76 POLB (0.70) POLBHPSEALDH1A1PYGLPYGM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4490545-A POLYIMIDES; FILMS; COATINGS; FIBERS; MOLDING MATERIALS STANDARD OIL COMPANY (INDIANA) (US) 1984-12-25 — — US disclosed
US-4153590-A AMPHOTERIC SURFACTANTS FOR POLYCONDENSATE RESIN SYSTEMS CIBA-GEIGY CORPORATION (US) 1979-05-08 — — US disclosed
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